(2Z)-2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one
Formula:C27H24N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:low
(2Z)-2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one is a drug-like molecule.
| MolName | (2Z)-2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one |
| MolecularFormula | C27H24N3O2FS |
| Smiles | O=C(CN(c(cccc1)c1S/C1=C\c(cccc2)c2F)C1=O)N(CC1)CCN1c1ccccc1 |
| InChI | InChI=1S/C27H24FN3O2S/c28-22-11-5-4-8-20(22)18-25-27(33)31(23-12-6-7-13-24(23)34-25)19-26(32)30-16-14-29(15-17-30)21-9-2-1-3-10-21/h1-13,18H,14-17,19H2 |
| InChIK | ASGXMXQBFUQRND-UHFFFAOYSA-N |
| TotalMolweight | 473.571 |
| Molweight | 473.571 |
| MonoisotopicMass | 473.157325 |
| CLogP | 3.6399 |
| CLogS | -5.523 |
| H Acceptors | 5 |
| TotalSurfaceArea | 349.53 |
| Relative PSA | 0.15512 |
| PolarSurfaceArea | 69.16 |
| Druglikeness | 6.6685 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.52941 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 6 |
| Symmetricatoms | 4 |
| Amides | 2 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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1 - (2Z)-2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one | 2 - (2Z)-2-[(2-fluorophenyl)methylidene]-4-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-1,4-benzothiazin-3-one
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